N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C50H33NO — CID 177280932

IUPACN-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)36-26-28-40(29-27-36)51(46-33-38-18-7-8-21-41(38)42-22-9-10-23-43(42)46)45-30-31-48-50(44-24-11-12-25-47(44)52-48)49(45)39-20-13-19-37(32-39)35-16-5-2-6-17-35/h1-33H
InChIKeyCZZDELSDMMOFRM-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177280932) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177280932
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)36-26-28-40(29-27-36)51(46-33-38-18-7-8-21-41(38)42-22-9-10-23-43(42)46)45-30-31-48-50(44-24-11-12-25-47(44)52-48)49(45)39-20-13-19-37(32-39)35-16-5-2-6-17-35/h1-33H
InChIKeyCZZDELSDMMOFRM-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenanthren-9-yl-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177280873
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
1-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280903
N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280879
N-naphthalen-1-yl-N-phenyl-1-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281615
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
N-(6-phenylnaphthalen-2-yl)-N,1-bis(3-phenylphenyl)dibenzofuran-2-amine
CID 177281469
N-naphthalen-1-yl-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]phenanthren-9-amine
CID 170401598
N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280900
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-naphthalen-2-yl-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177281179

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177280932) is N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is CZZDELSDMMOFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-14-34(15-4-1)36-26-28-40(29-27-36)51(46-33-38-18-7-8-21-41(38)42-22-9-10-23-43(42)46)45-30-31-48-50(44-24-11-12-25-47(44)52-48)49(45)39-20-13-19-37(32-39)35-16-5-2-6-17-35/h1-33H.
What are the key properties of N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177280932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).